2-[(4-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: 2-[(4-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: 2-[(4-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)methylamino]-5-nitrobenzoate IUPAC Name: 2-[(4-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(4-chlorobenzyl)amino]-5-nitro-benzoate Formula: C14H10ClN2O4- MolecularWeight: 305.6932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-])Cl

InChI

InChI=1S/C14H11ClN2O4/c15-10-3-1-9(2-4-10)8-16-13-6-5-11(17(20)21)7-12(13)14(18)19/h1-7,16H,8H2,(H,18,19)/p-1